A1I9P
  CCTOOLS-0619261019

 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7710   -0.4360    0.1900 N   0  0  0  0  0
    4.7440    0.5050    0.1640 C   0  0  0  0  0
    1.5470   -3.0680   -0.1490 C   0  0  0  0  0
    0.4000   -3.4590   -0.2260 O   0  0  0  0  0
    2.3730    1.0670    0.0460 C   0  0  0  0  0
   -1.7090    0.7080   -0.1880 C   0  0  0  0  0
   -3.0010    1.5270   -0.2280 C   0  0  0  0  0
   -5.3840    1.3120   -0.3660 C   0  0  0  0  0
   -6.5050    0.2760   -0.4650 C   0  0  0  0  0
   -7.5510   -1.5140    0.7390 C   0  0  0  0  0
    0.7650   -0.7100   -0.1060 C   0  0  0  0  0
    1.0230    0.6500   -0.0420 C   0  0  0  0  0
    2.7100    2.4260    0.1140 C   0  0  0  0  0
    4.0180    2.8010    0.1980 C   0  0  0  0  0
    5.0340    1.8510    0.2230 C   0  0  0  0  0
    3.3960    0.0870    0.0700 C   0  0  0  0  0
    1.8310   -1.6150   -0.0810 C   0  0  0  0  0
    3.0850   -1.2070    0.0060 N   0  0  0  0  0
   -4.1210    0.6450   -0.3220 O   0  0  0  0  0
   -6.5340   -0.5100    0.7280 O   0  0  0  0  0
   -0.2900    1.8250   -0.0700 S   0  0  0  0  0
    6.6940   -0.1450    0.2500 H   0  0  0  0  0
    5.5620   -1.3830    0.1520 H   0  0  0  0  0
   -1.7240    0.0470    0.6790 H   0  0  0  0  0
   -1.6280    0.1130   -1.0970 H   0  0  0  0  0
   -3.0820    2.1230    0.6810 H   0  0  0  0  0
   -2.9850    2.1880   -1.0950 H   0  0  0  0  0
   -5.4180    1.9690   -1.2350 H   0  0  0  0  0
   -5.5150    1.9030    0.5410 H   0  0  0  0  0
   -7.4610    0.7850   -0.5880 H   0  0  0  0  0
   -6.3260   -0.3720   -1.3220 H   0  0  0  0  0
   -7.5070   -2.0660    1.6770 H   0  0  0  0  0
   -8.5290   -1.0410    0.6410 H   0  0  0  0  0
   -7.3940   -2.1990   -0.0940 H   0  0  0  0  0
   -0.2510   -1.0680   -0.1740 H   0  0  0  0  0
    1.9330    3.1760    0.1000 H   0  0  0  0  0
    4.2680    3.8500    0.2500 H   0  0  0  0  0
    6.0630    2.1720    0.2900 H   0  0  0  0  0
    2.5610   -3.9540   -0.1270 O   0  0  0  0  0
    2.3270   -4.8910   -0.1740 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 15  2  0  0  0
  3 17  1  0  0  0
  3 39  1  0  0  0
  4  3  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 19  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 21  1  0  0  0
 12  5  2  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 14  1  0  0  0
 15 38  1  0  0  0
 16  5  1  0  0  0
 16  2  1  0  0  0
 17 11  2  0  0  0
 17 18  1  0  0  0
 18 16  2  0  0  0
 20  9  1  0  0  0
 20 10  1  0  0  0
 39 40  1  0  0  0
M  END
$$$$
